(3S)-N,3-dimethylhex-5-en-2-amine

C8H17N — CID 163651135

IUPAC(3S)-N,3-dimethylhex-5-en-2-amine
SMILESC=CC[C@H](C)C(C)NC
InChIInChI=1S/C8H17N/c1-5-6-7(2)8(3)9-4/h5,7-9H,1,6H2,2-4H3/t7-,8?/m0/s1
InChIKeyIMIHEUCXFVZLFS-JAMMHHFISA-N
MW127.23 g/mol
LogP1.81
Rot. Bonds4

About (3S)-N,3-dimethylhex-5-en-2-amine

(3S)-N,3-dimethylhex-5-en-2-amine (PubChem CID 163651135) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (3S)-N,3-dimethylhex-5-en-2-amine.

Molecular Properties

Compound Name(3S)-N,3-dimethylhex-5-en-2-amine
PubChem CID163651135
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(3S)-N,3-dimethylhex-5-en-2-amine
SMILESC=CC[C@H](C)C(C)NC
InChIInChI=1S/C8H17N/c1-5-6-7(2)8(3)9-4/h5,7-9H,1,6H2,2-4H3/t7-,8?/m0/s1
InChIKeyIMIHEUCXFVZLFS-JAMMHHFISA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine
CID 115717037
CID 174149816
CID 174149816
5-bromo-4-methylhex-1-ene
CID 78976582
4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol
CID 115714778
(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine
CID 138636088
2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine
CID 115714111
3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine
CID 115891206
4,5,6-trimethyloct-1-ene
CID 91354249
3,4-dimethylhept-6-en-2-amine
CID 131966570
N,3,5-trimethylhexan-2-amine
CID 60995864
7-methoxy-N,5-dimethylhept-1-en-4-amine
CID 116660673
(2S,3R,4R,6Z)-4-methyl-2-(methylamino)nona-6,8-dien-3-ol
CID 141148513

Frequently Asked Questions

What is the IUPAC name of (3S)-N,3-dimethylhex-5-en-2-amine?
The IUPAC name of (3S)-N,3-dimethylhex-5-en-2-amine (CID 163651135) is (3S)-N,3-dimethylhex-5-en-2-amine.
What is the SMILES notation for (3S)-N,3-dimethylhex-5-en-2-amine?
The canonical SMILES for (3S)-N,3-dimethylhex-5-en-2-amine is C=CC[C@H](C)C(C)NC.
What is the InChIKey of (3S)-N,3-dimethylhex-5-en-2-amine?
The InChIKey is IMIHEUCXFVZLFS-JAMMHHFISA-N. The full InChI is InChI=1S/C8H17N/c1-5-6-7(2)8(3)9-4/h5,7-9H,1,6H2,2-4H3/t7-,8?/m0/s1.
What are the key properties of (3S)-N,3-dimethylhex-5-en-2-amine?
(3S)-N,3-dimethylhex-5-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3-dimethylhex-5-en-2-amine is sourced from PubChem (CID 163651135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).